N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine

C11H17N3OS — CID 79969249

IUPACN-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(C)nc(C2CSCCO2)n1
InChIInChI=1S/C11H17N3OS/c1-8-5-9(6-12-2)14-11(13-8)10-7-16-4-3-15-10/h5,10,12H,3-4,6-7H2,1-2H3
InChIKeyGYWMKVNLTBVFEH-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.31
Rot. Bonds3

About N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine

N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine (PubChem CID 79969249) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine
PubChem CID79969249
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(C)nc(C2CSCCO2)n1
InChIInChI=1S/C11H17N3OS/c1-8-5-9(6-12-2)14-11(13-8)10-7-16-4-3-15-10/h5,10,12H,3-4,6-7H2,1-2H3
InChIKeyGYWMKVNLTBVFEH-UHFFFAOYSA-N
XLogP1.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine (CID 79969249) is N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine is CNCc1cc(C)nc(C2CSCCO2)n1.
What is the InChIKey of N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine?
The InChIKey is GYWMKVNLTBVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-5-9(6-12-2)14-11(13-8)10-7-16-4-3-15-10/h5,10,12H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine?
N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine has a molecular weight of 239.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 79969249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).